SMILES : O=C(OCC)c(cccc1)c1
CHEM   : Benzoic acid, ethyl ester
CAS NUM: 000093-89-0
MOL FOR: C9 H10 O2 
MOL WT : 150.18
------------------------------ EPI SUMMARY (v3.20) --------------------------
 Physical Property Inputs:
    Water Solubility (mg/L):   ------
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  2.32
    Log Kow (Exper. database match) =  2.64
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  215.57  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -0.50  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.197  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -34 deg C
    BP  (exp database):  212 deg C
    VP  (exp database):  2.67E-01 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  421.5
       log Kow used: 2.64 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  720 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1119 mg/L
    Wat Sol (Exper. database match) =  720.00
       Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Esters

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.61E-005  atm-m3/mole
   Group Method:   2.45E-005  atm-m3/mole
   Exper Database: 7.33E-05  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  9.236E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.64  (exp database)
  Log Kaw used:  -2.523  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  5.163
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9783
   Biowin2 (Non-Linear Model)     :   0.9988
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0295  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8649  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7000
   Biowin6 (MITI Non-Linear Model):   0.8437
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6954
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  35.6 Pa (0.267 mm Hg)
  Log Koa (Koawin est  ): 5.163
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.43E-008 
       Octanol/air (Koa) model:  3.57E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.04E-006 
       Mackay model           :  6.74E-006 
       Octanol/air (Koa) model:  2.86E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   2.2920 E-12 cm3/molecule-sec
      Half-Life =     4.667 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    56.000 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 4.89E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  143
      Log Koc:  2.155 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  3.776E-002  L/mol-sec
  Kb Half-Life at pH 8:     212.462  days   
  Kb Half-Life at pH 7:       5.817  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 1.333 (BCF = 21.52)
       log Kow used: 2.64 (expkow database)

 Volatilization from Water:
    Henry LC:  7.33E-005 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      18.26  hours
    Half-Life from Model Lake :      223.2  hours   (9.299 days)

 Removal In Wastewater Treatment:
    Total removal:               7.11  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     3.37  percent
    Total to Air:                3.64  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       5.75            112          1000       
   Water     23.6            360          1000       
   Soil      70.4            720          1000       
   Sediment  0.207           3.24e+003    0          
     Persistence Time: 435 hr